==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-APR-10 3MF6 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPOLYSPORA FLEXUOSA; . AUTHOR A.MORIN,J.M.HARP . 193 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 50.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 15 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 3 2 1 2 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 0 A G 0 0 128 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-161.1 39.0 38.7 24.0 2 1 A S + 0 0 105 1,-0.4 0, 0.0 0, 0.0 0, 0.0 0.327 360.0 94.4 177.3 -41.3 40.1 38.2 20.3 3 2 A D - 0 0 84 29,-0.0 -1,-0.4 1,-0.0 2,-0.4 -0.330 62.5-138.2 -55.6 155.4 39.2 35.5 18.1 4 3 A T E -A 33 0A 67 29,-1.1 29,-3.1 -3,-0.1 2,-0.4 -0.974 8.2-152.9-123.8 135.3 36.2 36.2 15.9 5 4 A T E -A 32 0A 86 -2,-0.4 2,-0.3 27,-0.3 27,-0.2 -0.914 16.5-168.5-107.0 133.4 33.3 33.9 15.1 6 5 A I E +A 31 0A 15 25,-2.9 25,-2.1 -2,-0.4 3,-0.0 -0.880 22.7 173.9-123.9 152.4 31.4 34.5 11.8 7 6 A T + 0 0 75 -2,-0.3 20,-0.5 23,-0.2 2,-0.4 0.383 58.5 78.4-134.0 -6.8 28.2 33.2 10.4 8 7 A Q S S- 0 0 151 18,-0.1 13,-0.1 19,-0.1 -1,-0.0 -0.885 89.4 -89.8-116.0 145.7 27.6 35.1 7.2 9 8 A N + 0 0 67 -2,-0.4 2,-0.3 14,-0.2 13,-0.2 -0.194 69.0 128.5 -53.3 128.9 29.1 34.6 3.8 10 9 A Q E -B 21 0A 65 11,-2.1 11,-2.4 -4,-0.0 2,-0.3 -0.982 42.5-145.1-170.0 163.7 32.3 36.7 3.4 11 10 A T E +B 20 0A 87 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.924 36.7 119.7-132.8 164.3 35.9 36.8 2.5 12 11 A G E -B 19 0A 16 7,-2.0 7,-2.5 -2,-0.3 2,-0.4 -0.978 57.2 -68.3 172.8-164.4 38.7 38.9 4.0 13 12 A Y E +B 18 0A 160 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.992 40.1 178.9-123.4 129.3 42.0 39.0 5.8 14 13 A D E > S-B 17 0A 24 3,-2.9 3,-1.9 -2,-0.4 20,-0.1 -0.992 70.2 -15.5-134.8 120.8 42.4 37.8 9.4 15 14 A N T 3 S- 0 0 89 -2,-0.4 21,-0.2 1,-0.3 -1,-0.1 0.827 130.0 -50.8 58.6 33.0 45.6 37.7 11.4 16 15 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 19,-0.0 -1,-0.3 0.469 119.2 101.2 84.1 4.7 47.5 38.0 8.1 17 16 A Y E < S-B 14 0A 51 -3,-1.9 -3,-2.9 19,-0.3 -1,-0.2 -0.959 71.9-118.7-119.5 140.7 45.8 35.2 6.2 18 17 A F E -BC 13 54A 15 36,-1.6 36,-2.6 -2,-0.4 2,-0.3 -0.442 36.1-172.1 -62.2 146.0 43.1 35.3 3.6 19 18 A Y E -BC 12 53A 23 -7,-2.5 -7,-2.0 34,-0.2 2,-0.3 -0.983 13.5-166.3-141.0 152.9 39.9 33.6 4.6 20 19 A S E -BC 11 52A 7 32,-2.2 32,-2.4 -2,-0.3 2,-0.4 -0.995 4.1-177.9-136.1 142.9 36.7 32.6 2.9 21 20 A F E +BC 10 51A 1 -11,-2.4 -11,-2.1 -2,-0.3 2,-0.3 -0.989 12.4 162.4-139.1 123.9 33.4 31.4 4.4 22 21 A R E + C 0 50A 155 28,-2.0 28,-2.4 -2,-0.4 2,-0.3 -0.978 3.3 162.4-146.9 139.1 30.4 30.4 2.3 23 22 A T E - C 0 49A 10 -2,-0.3 26,-0.2 26,-0.2 -14,-0.2 -0.984 34.9-150.8-145.3 155.3 27.2 28.5 2.9 24 23 A D S S+ 0 0 107 24,-1.9 25,-0.1 -2,-0.3 -1,-0.0 0.308 96.9 61.8 -97.9 7.1 23.8 28.0 1.4 25 24 A A S > S- 0 0 19 23,-0.5 3,-1.9 4,-0.0 4,-0.2 -0.600 77.5-163.3-134.8 64.9 22.4 27.2 4.9 26 25 A P T 3 S+ 0 0 105 0, 0.0 -18,-0.1 0, 0.0 4,-0.1 -0.264 75.1 29.0 -58.9 141.6 22.9 30.3 7.0 27 26 A G T 3 S+ 0 0 73 2,-0.5 3,-0.1 -20,-0.5 -19,-0.1 0.309 104.1 79.4 91.0 -1.6 22.6 29.6 10.7 28 27 A T S < S+ 0 0 39 -3,-1.9 16,-2.7 1,-0.2 2,-0.3 0.381 93.9 36.8-111.9 -5.1 23.7 26.0 10.5 29 28 A V E - D 0 43A 6 14,-0.2 -2,-0.5 -4,-0.2 2,-0.3 -0.991 59.6-175.7-149.9 143.9 27.5 26.6 10.3 30 29 A S E - D 0 42A 28 12,-2.5 12,-1.9 -2,-0.3 2,-0.4 -0.935 13.6-146.1-138.6 162.5 30.0 28.9 11.8 31 30 A M E -AD 6 41A 0 -25,-2.1 -25,-2.9 -2,-0.3 2,-0.5 -0.998 7.0-156.0-129.8 133.7 33.8 29.7 11.5 32 31 A T E -AD 5 40A 33 8,-2.6 8,-2.6 -2,-0.4 2,-0.6 -0.958 14.8-142.4-112.2 125.9 36.0 30.9 14.3 33 32 A L E -AD 4 39A 2 -29,-3.1 -29,-1.1 -2,-0.5 6,-0.2 -0.789 23.1-176.4 -98.9 117.2 39.1 32.7 13.2 34 33 A H - 0 0 43 4,-2.1 4,-0.2 -2,-0.6 -20,-0.0 -0.419 37.8 -59.7-101.0 179.8 42.2 32.0 15.3 35 34 A S S > S- 0 0 84 -2,-0.1 3,-1.6 2,-0.1 -1,-0.2 -0.182 99.1 -17.4 -57.6 153.3 45.8 33.4 15.3 36 35 A G T 3 S- 0 0 31 1,-0.2 -19,-0.3 -21,-0.2 -22,-0.1 -0.148 131.0 -13.7 54.4-136.5 47.9 33.0 12.1 37 36 A G T 3 S+ 0 0 6 153,-0.2 153,-1.7 -21,-0.1 2,-0.3 0.023 108.6 110.6 -88.5 27.1 46.7 30.5 9.6 38 37 A S E < + E 0 189A 28 -3,-1.6 -4,-2.1 -4,-0.2 2,-0.3 -0.807 32.1 154.6-113.5 148.4 44.3 28.8 11.9 39 38 A Y E -DE 33 188A 0 149,-2.3 149,-2.8 -2,-0.3 2,-0.3 -0.970 23.6-141.8-154.3 165.7 40.5 28.5 12.1 40 39 A S E -DE 32 187A 22 -8,-2.6 -8,-2.6 -2,-0.3 2,-0.3 -0.912 10.1-159.1-125.3 158.5 37.7 26.3 13.4 41 40 A T E -DE 31 186A 5 145,-2.4 145,-1.9 -2,-0.3 2,-0.3 -0.960 5.7-173.1-130.5 155.6 34.4 25.3 12.1 42 41 A S E +DE 30 185A 66 -12,-1.9 -12,-2.5 -2,-0.3 2,-0.3 -0.979 8.9 177.4-144.4 135.4 31.2 23.9 13.6 43 42 A W E -DE 29 184A 4 141,-2.7 141,-2.5 -2,-0.3 2,-0.4 -0.992 10.8-172.0-143.1 147.0 28.1 22.7 11.7 44 43 A R S S- 0 0 182 -16,-2.7 139,-0.2 -2,-0.3 138,-0.1 -0.940 76.5 -21.6-143.6 114.4 24.8 21.2 12.8 45 44 A N S S+ 0 0 118 -2,-0.4 138,-0.2 137,-0.4 137,-0.2 0.931 95.2 171.9 53.9 53.4 22.3 19.8 10.3 46 45 A T - 0 0 12 136,-1.9 -1,-0.1 1,-0.2 3,-0.1 -0.062 36.7-141.7 -91.8-179.0 23.8 21.9 7.5 47 46 A G - 0 0 16 1,-0.2 134,-2.7 -22,-0.1 2,-0.4 0.361 67.9 -33.3-101.4-116.8 23.4 22.3 3.8 48 47 A L E + F 0 180A 84 132,-0.2 -24,-1.9 133,-0.1 -23,-0.5 -0.912 67.9 163.1-109.7 141.6 26.5 22.9 1.8 49 48 A F E -CF 23 179A 4 130,-2.1 130,-2.1 -2,-0.4 2,-0.3 -0.994 20.7-169.1-149.9 160.1 29.5 25.0 3.1 50 49 A L E +CF 22 178A 24 -28,-2.4 -28,-2.0 -2,-0.3 2,-0.3 -0.951 16.4 168.3-146.4 129.3 33.1 25.7 2.4 51 50 A A E +CF 21 177A 0 126,-2.2 126,-2.7 -2,-0.3 2,-0.3 -0.998 11.3 131.7-139.9 141.3 35.4 27.5 4.8 52 51 A G E -CF 20 176A 0 -32,-2.4 -32,-2.2 -2,-0.3 2,-0.3 -0.994 39.0-119.4-174.0 174.9 39.2 28.0 5.0 53 52 A K E +CF 19 175A 0 122,-1.1 122,-3.0 -2,-0.3 -34,-0.2 -0.909 53.2 94.1-121.9 151.9 42.3 30.1 5.4 54 53 A G E S-CF 18 174A 1 -36,-2.6 -36,-1.6 -2,-0.3 2,-0.4 -0.773 70.2 -25.6 170.9-121.2 45.2 30.6 2.9 55 54 A W E - F 0 173A 36 118,-2.9 118,-2.4 -2,-0.2 3,-0.1 -0.956 31.5-138.7-134.2 140.4 46.1 33.1 0.3 56 55 A S S S+ 0 0 40 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.756 102.9 42.9 -71.3 -21.6 44.1 35.5 -2.0 57 56 A T S S- 0 0 94 116,-0.1 -1,-0.2 115,-0.1 115,-0.2 -0.960 84.3-153.6-124.4 114.2 46.5 34.5 -4.8 58 57 A G + 0 0 9 113,-3.0 2,-0.3 -2,-0.5 112,-0.2 -0.233 24.6 145.2 -75.1 167.3 47.3 30.9 -5.2 59 58 A G - 0 0 18 2,-0.1 -1,-0.0 -2,-0.0 94,-0.0 -0.923 61.2 -55.7-173.1-158.3 50.4 29.3 -6.7 60 59 A R S S+ 0 0 130 -2,-0.3 94,-1.5 93,-0.1 95,-0.2 0.459 74.3 145.9 -80.6 -0.1 52.8 26.4 -6.5 61 60 A R - 0 0 65 92,-0.2 92,-0.9 1,-0.1 2,-0.4 0.088 51.5-123.6 -42.4 137.0 53.8 27.0 -2.9 62 61 A T E -G 152 0A 56 90,-0.2 131,-2.9 91,-0.1 2,-0.3 -0.701 38.3-172.5 -74.5 133.6 54.7 24.1 -0.7 63 62 A V E -GH 151 192A 0 88,-2.3 88,-2.9 -2,-0.4 2,-0.4 -0.896 17.9-150.8-129.3 158.5 52.4 24.3 2.4 64 63 A T E +GH 150 191A 49 127,-2.6 127,-1.7 -2,-0.3 2,-0.3 -0.993 19.3 179.2-128.7 140.8 52.2 22.4 5.7 65 64 A Y E -GH 149 190A 5 84,-2.5 84,-2.2 -2,-0.4 2,-0.3 -0.919 17.7-163.5-136.0 162.4 49.0 21.9 7.6 66 65 A N E +GH 148 189A 97 123,-2.1 123,-2.5 -2,-0.3 2,-0.3 -0.983 21.2 179.5-144.4 139.3 47.6 20.2 10.8 67 66 A A E - H 0 188A 9 80,-2.3 2,-0.5 -2,-0.3 121,-0.2 -0.992 35.2-149.7-142.6 147.6 44.0 19.5 11.5 68 67 A S E - H 0 187A 68 119,-2.8 119,-2.2 -2,-0.3 2,-0.5 -0.982 32.4-172.6-102.4 119.1 41.5 18.1 13.9 69 68 A F E + H 0 186A 22 -2,-0.5 117,-0.2 117,-0.2 27,-0.1 -0.919 14.0 166.3-124.5 107.1 38.8 16.8 11.4 70 69 A N E + H 0 185A 99 115,-2.8 115,-1.3 -2,-0.5 2,-0.3 -0.543 8.6 163.4-130.1 63.3 35.5 15.5 13.0 71 70 A P E - 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